NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.0769 8.0232 122.2827 51.1038 20.3877 176.4390 3 P 4.3445 0.0000 0.0000 61.9002 32.0781 174.9830 4 K 4.2516 9.3246 123.8515 59.6034 33.5650 177.2239 5 A 4.7427 7.8057 119.0727 50.7520 22.9024 175.2906 6 V 4.6563 9.3393 123.0038 61.2767 33.7121 174.3912 7 L 5.0881 9.3246 129.6131 53.6368 43.3486 176.2676 8 V 4.6980 9.8341 116.9086 58.7636 35.8607 175.2602 9 G 4.0378 7.6676 111.1860 45.3453 0.0000 171.9029 10 L 4.4793 7.5617 119.9940 53.2127 42.4446 175.2037 11 P 4.4742 0.0000 0.0000 64.4559 30.2952 177.5687 12 G 4.0883 9.0035 109.2361 45.7432 0.0000 175.5927 13 S 4.2183 8.2954 114.9653 59.7429 63.3349 175.5392 14 G 4.1577 8.0030 106.6844 45.1728 0.0000 175.4378 15 K 3.8449 8.3405 119.6722 60.2589 31.9588 178.7103 16 S 4.1759 8.0257 114.0960 62.0060 62.8223 177.0014 17 T 3.8623 7.7706 117.7606 66.8523 68.4922 176.9304 18 I 3.8240 8.4755 122.1882 64.0965 37.0729 178.8716 19 G 3.5576 8.4939 107.1260 47.8680 0.0000 175.6716 20 R 3.9358 7.9376 121.9674 59.1715 30.0979 178.8089 21 R 4.0242 8.2400 117.7631 58.7796 29.9903 178.6136 22 L 4.0635 8.3448 120.5270 57.4734 42.0672 178.7876 23 A 3.9665 8.5094 121.3384 55.0264 18.3800 179.5646 24 K 3.8429 8.1027 116.7433 59.6327 31.9547 179.3136 25 A 3.9885 7.6937 119.3226 55.2530 18.5031 179.2498 26 L 4.2031 8.0616 114.5796 55.0785 41.8120 178.3040 27 G 3.8473 7.7033 106.9548 45.8580 0.0000 173.6919 28 V 4.2543 7.6758 113.3033 59.6846 34.1522 175.3667 29 G 4.1220 8.3948 107.8991 45.3784 0.0000 172.4151 30 L 5.2986 8.3533 122.3666 53.1092 44.3498 175.3818 31 L 4.6245 8.8492 126.9675 53.3627 45.2701 174.2479 32 D 5.3093 8.5759 126.5717 52.8433 42.4970 177.1510 33 T 3.8511 8.8412 117.8145 64.8507 68.5261 176.3392 34 D 4.4093 8.2447 121.4211 57.3194 40.9357 178.6590 35 V 3.5661 7.7868 117.9650 66.0155 31.5318 177.6433 36 A 4.0767 8.3317 120.7834 55.1119 17.8308 179.7818 37 I 3.7036 7.5970 118.0092 64.5460 37.6917 178.1301 38 E 4.8308 8.4180 120.0595 59.0438 29.4371 178.8459 39 Q 3.9222 8.5171 119.4707 58.9140 28.6889 178.6988 40 R 4.0167 7.5838 119.0194 58.6150 30.4117 176.7427 41 T 4.3954 7.6007 105.9451 60.2602 70.0029 176.0420 42 G 3.9765 8.5209 108.9455 46.1915 0.0000 173.5303 43 R 4.5199 8.1863 116.4147 53.7860 31.1261 176.4056 44 S 4.3327 8.7678 116.7243 59.0328 64.1076 174.1180 45 I 3.7399 8.6450 127.5414 65.1382 36.9664 178.0065 46 A 4.1332 8.1076 120.2131 55.9416 18.4289 179.4771 47 D 4.6613 8.1646 116.1631 57.1093 40.8590 179.0901 48 I 3.7365 8.3466 121.1037 64.3286 37.0633 178.2549 49 F 4.1931 8.4418 118.2987 60.6201 38.5590 177.2922 50 A 4.1951 8.2942 119.3263 55.9581 18.2425 179.4725 51 T 4.2296 7.8951 111.8129 65.3130 68.8969 175.4801 52 D 4.7254 8.3114 117.1311 52.1626 43.3138 174.1785 53 G 4.1579 8.7045 114.9767 44.8587 0.0000 175.1098 54 E 4.3236 8.9576 120.0569 59.3268 29.1524 179.7321 55 Q 4.0301 8.3884 117.4157 59.5786 28.2168 178.6811 56 E 3.8379 8.7792 121.2121 58.7404 29.8428 177.4554 57 F 3.7291 8.2056 119.7594 61.8502 39.1165 176.8965 58 R 3.8338 8.8549 117.6730 59.5181 29.8438 179.1654 59 R 3.8682 7.3854 118.0457 59.2569 30.0755 178.6881 60 I 3.5867 7.6171 119.6991 64.1901 37.2492 177.8330 61 E 3.5566 7.9944 120.4189 59.3433 29.4062 178.4763 62 E 3.8902 8.4384 119.5147 59.3312 29.4999 178.3191 63 D 4.2826 7.7789 118.2764 57.1901 41.2779 178.4255 64 V 3.5556 7.7503 118.9531 65.7179 31.5129 178.1859 65 V 3.5251 7.9629 118.2980 66.0300 31.2881 178.0983 66 R 3.8809 8.0171 117.5160 59.1843 29.9199 178.8503 67 A 3.9201 7.7756 119.8437 55.1875 18.4206 179.5289 68 A 3.9427 8.5084 119.4832 55.4135 18.6005 179.8488 69 L 3.8497 8.5423 117.5042 57.4799 41.3322 179.6959 70 A 4.0711 7.5300 119.7256 54.8273 18.9695 178.6387 71 D 4.7014 8.3094 113.9008 53.5241 41.5393 175.7717 72 H 4.8294 7.9194 120.5731 54.6781 31.0883 173.7234 73 D 5.2068 7.9047 124.7898 53.0625 41.9614 177.5975 74 G 4.0492 7.2576 113.3176 46.5916 0.0000 173.2182 75 V 4.9157 8.9887 124.2992 61.0114 34.0363 174.7350 76 L 5.1411 8.8658 129.3280 53.3983 45.0278 174.8889 77 S 5.0832 9.0626 122.9777 56.8169 64.9507 173.2525 78 L 4.5781 8.7568 126.5272 53.4872 42.4122 177.6166 79 G 3.8378 9.4162 113.9219 45.9447 0.0000 174.6532 80 G 4.0612 8.8678 113.2380 48.5556 0.0000 174.6666 81 G 3.8882 8.2591 106.5754 45.4780 0.0000 174.9269 82 A 4.5831 8.3511 124.6409 54.9305 18.0761 180.1176 83 V 3.6381 7.9611 108.8037 64.6106 31.5681 178.4003 84 T 4.0826 7.8858 109.2530 63.3771 68.7783 174.9073 85 S 4.3089 7.9049 119.2159 57.3711 63.2404 173.3132 86 P 4.3106 0.0000 0.0000 65.3864 31.0279 178.6750 87 G 4.2322 8.0125 105.0930 46.4701 0.0000 175.8063 88 V 3.6916 7.9430 121.0989 65.8669 31.3423 178.3051 89 R 3.9437 7.7944 116.4748 58.9472 30.1303 178.4235 90 A 4.1190 8.1837 120.5007 55.0973 18.2699 179.5483 91 A 4.0024 7.7812 118.0674 55.2457 18.5823 179.5469 92 L 4.1566 7.9658 117.2779 56.0953 41.5939 177.2859 93 A 4.0623 7.0984 121.6120 54.1767 18.5103 177.3978 94 G 3.9653 9.0149 111.7524 45.7129 0.0000 173.2465 95 H 4.4145 7.9953 116.5043 55.7122 29.6883 174.7719 96 T 4.3933 8.3168 116.9197 62.6425 69.5534 174.4734 97 V 4.6099 8.4838 128.3144 61.2062 33.5868 174.5701 98 V 4.7699 9.1270 129.7730 61.5538 33.2986 174.0566 99 Y 4.9845 9.3680 131.1102 56.6478 39.6477 174.6872 100 L 4.4998 8.8732 129.3100 53.8315 42.0594 176.6720 101 E 3.7870 8.8564 125.3445 55.7243 30.6858 176.1311 102 I 5.0753 7.9862 123.3539 59.1847 41.4956 174.8778 103 S 4.4775 9.5102 123.6310 57.6119 64.0965 175.1206 104 A 4.2499 8.5753 121.9827 54.9263 18.0883 179.8731 105 A 3.8161 7.8399 119.0284 55.4070 18.5594 179.3549 106 E 3.9337 8.1407 118.0016 59.2304 29.5569 179.1382 107 G 3.6728 8.1101 107.3591 47.2263 0.0000 175.8761 108 V 3.0762 7.1898 119.9246 65.4463 31.7361 178.0553 109 R 4.0417 7.5530 117.4925 58.9690 29.7100 179.1544 110 R 3.9762 7.9992 117.8716 59.1128 30.3592 178.2695 111 T 4.3951 7.5987 107.6113 62.0189 68.6409 176.4369 112 G 3.9228 7.7987 112.6118 48.9102 0.0000 175.3152 113 G 3.6086 8.0242 106.6828 45.9946 0.0000 172.7222 114 N 4.1168 8.3778 119.1022 55.4827 36.3049 177.3890 *115 T 4.2999 7.5279 109.8876 60.2066 68.0327 177.3484 116 V 3.4597 7.3232 132.1184 62.1405 31.1800 173.4872 117 R 3.7753 8.4610 109.8550 55.9294 26.3147 174.1953 118 P 4.0859 0.0000 0.0000 65.9095 31.8909 179.2638 119 L 4.0443 7.6771 115.2526 56.6064 41.6131 177.6281 120 L 4.7054 7.8303 119.1190 53.6710 42.2462 176.7274 121 A 4.0927 7.4910 121.1497 52.1828 19.3302 178.7192 122 G 3.9032 9.0137 110.7253 48.0387 0.0000 171.4948 123 P 4.0595 0.0000 0.0000 63.3290 31.4239 175.8054 124 D 4.3857 8.8373 125.1411 54.0086 38.2521 175.3716 125 R 3.8858 8.1440 120.2065 60.3886 30.5583 178.4061 126 A 4.0125 8.1103 119.8772 55.3316 18.2376 179.1581 127 E 3.8777 8.1225 116.9323 59.4475 29.8954 178.7367 128 K 3.8817 8.0057 118.5741 60.0108 32.2017 178.6217 129 Y 4.0065 8.5359 119.8138 60.4248 38.5958 177.8906 130 R 4.0851 8.0352 118.6845 58.8195 30.1769 178.7181 131 A 3.9372 8.1463 120.6315 55.0931 18.4615 179.1595 132 L 3.7822 7.8532 118.8531 58.7897 41.9907 179.0090 133 M 4.0937 8.0103 117.6083 58.5187 31.9212 178.0567 134 A 4.0084 8.0024 120.7174 54.4010 18.5479 179.3094 135 K 4.0762 7.8530 116.8183 60.0119 33.4899 179.3417 136 R 3.7066 8.3935 119.6024 57.8835 29.9556 178.4380 137 A 4.1887 8.0816 121.1913 55.2439 18.1263 177.9747 138 P 4.2269 0.0000 0.0000 65.4712 31.5400 178.7754 139 L 3.9828 7.4707 117.3464 57.9870 41.7749 178.6160 140 Y 4.0203 7.1369 116.5842 61.3379 37.4492 179.3094 141 R 4.0524 7.6297 117.3608 58.9699 30.1155 179.1734 142 R 4.0394 7.7767 117.7841 59.4251 30.3042 179.1378 143 V 3.7895 7.5850 109.2504 61.9932 32.1927 176.4202 144 A 4.4609 7.3402 122.3838 52.1546 18.9259 177.2178 145 T 4.5729 8.6870 111.7907 62.0961 70.8676 174.5236 146 M 4.7726 7.8294 122.5370 54.3369 35.7763 173.2146 147 R 5.0298 8.7608 125.2750 54.6939 32.2651 175.7605 148 V 4.2515 9.1178 124.5450 60.7905 34.4691 173.9183 149 D 4.7563 8.7552 128.6839 54.2556 41.2799 175.2255 150 T 4.3775 8.6088 116.7586 61.9833 69.1447 175.9933 151 N 4.4143 8.3495 120.5040 57.0274 38.7458 176.7005 152 R 4.1338 7.8935 114.8324 58.5064 30.8059 177.1945 153 R 3.7465 7.9204 114.2424 56.6367 30.5418 176.8994 154 N 4.6423 8.5885 120.2941 51.6420 39.5799 174.2967 155 P 4.2849 0.0000 0.0000 65.8489 31.4188 178.8119 156 G 3.8179 8.2595 103.5916 48.2202 0.0000 175.2785 157 A 4.1824 8.3885 123.0701 54.5010 18.3183 180.0285 158 V 3.4871 7.7452 117.0210 66.0542 31.6192 178.2298 159 V 3.5939 8.0521 118.3691 66.4131 31.3192 178.2741 160 R 4.0080 8.5692 117.8095 59.3642 29.5813 178.6235 161 H 4.1480 8.0989 117.5824 59.2181 30.0990 177.1979 162 I 3.8777 7.8926 121.6527 64.2699 36.9694 178.0674 163 L 3.9347 8.2398 120.2422 58.1819 41.3562 179.5212 164 S 4.1577 8.1841 111.9781 60.8204 62.2741 175.4518 165 R 4.5110 7.7987 117.8585 55.7364 31.0907 175.8314 166 L 4.1738 7.8410 124.1081 54.9937 41.5949 176.7274 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 A 8.02 5.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.34 0.00 2.17 2.14 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.37 0.00 4 K 9.32 4.25 0.00 1.60 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.79 1.55 7.81 5 A 7.81 4.74 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.34 4.66 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.93 0.00 0.00 7 L 9.32 5.09 0.00 1.60 1.58 0.98 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.83 4.70 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.98 0.00 0.00 9 G 7.67 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.56 4.48 0.00 1.76 1.41 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.47 0.00 2.24 2.09 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 12 G 9.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.30 4.22 0.00 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.34 3.84 0.00 1.82 1.90 0.00 1.91 0.00 0.00 1.98 0.00 0.00 3.11 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.56 7.81 16 S 8.03 4.18 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.77 3.86 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 18 I 8.48 3.82 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.92 0.00 0.00 19 G 8.49 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.94 3.94 0.00 2.09 2.06 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 21 R 8.24 4.02 0.00 1.90 1.96 0.00 3.17 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 22 L 8.34 4.06 0.00 1.79 1.70 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.51 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.10 3.84 0.00 2.10 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 25 A 7.69 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.06 4.20 0.00 1.73 1.73 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.70 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.68 4.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.02 0.00 0.00 29 G 8.39 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.35 5.30 0.00 1.66 1.56 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.85 4.62 0.00 1.14 1.21 0.75 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.58 5.31 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.84 3.85 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 34 D 8.24 4.41 0.00 2.78 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.79 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 36 A 8.33 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.60 3.70 2.07 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.77 0.00 0.00 38 E 8.42 4.83 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.23 0.00 39 Q 8.52 3.92 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 40 R 7.58 4.02 0.00 1.75 2.24 0.00 3.17 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 41 T 7.60 4.40 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 G 8.52 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.19 4.52 0.00 1.87 1.93 0.00 3.11 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.53 0.00 44 S 8.77 4.33 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.65 3.74 1.98 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.87 1.01 0.00 0.00 46 A 8.11 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.16 4.66 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.35 3.74 2.18 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.89 0.00 0.00 49 F 8.44 4.19 0.00 3.23 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.29 4.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.90 4.23 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 52 D 8.31 4.73 0.00 2.57 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.70 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.96 4.32 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.47 0.00 55 Q 8.39 4.03 0.00 2.27 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.66 2.42 0.00 56 E 8.78 3.84 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 57 F 8.21 3.73 0.00 2.18 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.85 3.83 0.00 1.91 2.03 0.00 3.50 0.00 0.00 3.54 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 59 R 7.39 3.87 0.00 1.79 2.03 0.00 3.07 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 60 I 7.62 3.59 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 0.71 0.00 0.00 61 E 7.99 3.56 0.00 1.16 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 62 E 8.44 3.89 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 63 D 7.78 4.28 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.75 3.56 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.85 0.00 0.00 65 V 7.96 3.53 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.97 0.00 0.00 66 R 8.02 3.88 0.00 2.07 1.96 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 67 A 7.78 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.51 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.54 3.85 0.00 1.82 1.62 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.53 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.31 4.70 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.92 4.83 0.00 3.08 3.30 0.00 5.91 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.90 5.21 0.00 2.52 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.26 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.99 4.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 76 L 8.87 5.14 0.00 1.81 1.48 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.06 5.08 0.00 3.78 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.76 4.58 0.00 1.71 1.66 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 79 G 9.42 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.87 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.26 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.35 4.58 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.96 3.64 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.70 0.00 0.00 84 T 7.89 4.08 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 85 S 7.90 4.31 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.31 0.00 2.14 2.09 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 87 G 8.01 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.94 3.69 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.91 0.00 0.00 89 R 7.79 3.94 0.00 1.99 1.96 0.00 3.22 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.90 0.00 90 A 8.18 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.78 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.97 4.16 0.00 1.90 1.75 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.10 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 1.07 0.00 0.00 103 S 9.51 4.48 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.58 4.25 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.84 3.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.14 3.93 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 107 G 8.11 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.19 3.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.66 0.00 0.00 109 R 7.55 4.04 0.00 2.06 1.89 0.00 3.25 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 110 R 8.00 3.98 0.00 1.73 1.97 0.00 3.32 0.00 0.00 3.26 7.56 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0.00 0.00 0.00 2.01 2.08 0.00 119 L 7.68 4.04 0.00 1.51 1.64 0.60 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.83 4.71 0.00 1.79 1.71 1.14 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.49 4.09 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 9.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.06 0.00 2.18 2.13 0.00 3.90 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 124 D 8.84 4.39 0.00 3.06 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.14 3.89 0.00 1.91 2.05 0.00 3.42 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 126 A 8.11 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.12 3.88 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 128 K 8.01 3.88 0.00 2.06 1.90 0.00 1.83 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.69 7.81 129 Y 8.54 4.01 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.04 4.09 0.00 2.12 2.01 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 131 A 8.15 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.85 3.78 0.00 1.90 1.64 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 133 M 8.01 4.09 0.00 2.34 2.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 134 A 8.00 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.85 4.08 0.00 1.85 1.90 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.49 7.81 136 R 8.39 3.71 0.00 1.66 1.17 0.00 3.09 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 137 A 8.08 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.23 0.00 1.96 2.10 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 139 L 7.47 3.98 0.00 1.40 1.46 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.14 4.02 0.00 1.82 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.63 4.05 0.00 1.96 2.05 0.00 3.28 0.00 0.00 3.41 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 142 R 7.78 4.04 0.00 1.95 1.96 0.00 3.12 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 143 V 7.59 3.79 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.02 0.00 0.00 144 A 7.34 4.46 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.69 4.57 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 146 M 7.83 4.77 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 147 R 8.76 5.03 0.00 1.76 2.03 0.00 3.27 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 148 V 9.12 4.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.01 0.00 0.00 149 D 8.76 4.76 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.61 4.38 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 151 N 8.35 4.41 0.00 2.87 2.89 0.00 0.00 6.87 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.89 4.13 0.00 1.77 1.95 0.00 3.40 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 153 R 7.92 3.75 0.00 1.75 1.90 0.00 3.22 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 154 N 8.59 4.64 0.00 2.98 2.95 0.00 0.00 6.25 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.28 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 156 G 8.26 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.39 4.18 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.75 3.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 159 V 8.05 3.59 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 160 R 8.57 4.01 0.00 1.85 1.98 0.00 3.18 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 161 H 8.10 4.15 0.00 3.25 3.53 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.89 3.88 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 0.93 0.00 0.00 163 L 8.24 3.93 0.00 1.81 1.72 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.18 4.16 0.00 3.86 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.80 4.51 0.00 1.91 1.89 0.00 3.07 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 166 L 7.84 4.17 0.00 1.65 1.59 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.